HRID143912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734087

2-Bromo-4-methylpyridine

C6H6BrN

HCID2773515

4-Methyl-3-nitrophenylboronic acid

C7H8BNO4

PRODUCTS

生成物

结构：Cc1ccnc(-c2ccc(C)c([N+](=O)[O-])c2)c1

HCID18667647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c6eb44504714904a13af723ed41956b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:9][c:10]1[c:11]([N+:19](=[O:20])[O-:21])[cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[Pd:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:13]2[cH:12][c:11]([N+:19](=[O:20])[O-:21])[c:10]([CH3:9])[cH:15][cH:14]2)[n:3][cH:4][cH:5][c:6]([CH3:8])[cH:7]1